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{
"id": "jvasp-26047",
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"structure_string": "Co21 Re2 B6\n1.0\n6.392145 0.000000 3.690507\n2.130715 6.026573 3.690507\n0.000000 0.000000 7.381015\nCo Re B\n21 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.661551 -0.000000 0.000001 Co\n-0.000000 -0.000000 0.661552 Co\n0.661551 -0.000000 0.338449 Co\n-0.000000 0.661551 0.000001 Co\n0.661551 0.338449 0.000001 Co\n0.338448 -0.000000 0.661552 Co\n-0.000000 0.661551 0.338450 Co\n-0.000000 0.338449 0.661552 Co\n0.338448 0.661551 0.000001 Co\n-0.000000 0.338449 0.000000 Co\n0.338448 -0.000000 0.000000 Co\n0.381198 0.381198 0.381199 Co\n-0.000000 -0.000000 0.338449 Co\n0.143595 0.618801 0.618803 Co\n0.618801 0.143595 0.618803 Co\n0.618801 0.618801 0.143597 Co\n0.381198 0.856404 0.381200 Co\n0.381198 0.381198 0.856406 Co\n0.618801 0.618801 0.618803 Co\n0.856404 0.381198 0.381200 Co\n0.250000 0.250000 0.250001 Re\n0.749999 0.750000 0.750002 Re\n0.275837 0.724162 0.275839 B\n0.724162 0.275837 0.275838 B\n0.724162 0.724162 0.275839 B\n0.275837 0.275837 0.724163 B\n0.724162 0.275837 0.724164 B\n0.275837 0.724162 0.724164 B\n",
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{
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{
"id": "jvasp-119015",
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"updated_at": "2022-09-04T14:38:51.058269Z",
"structure_string": "Mg16 Sc1 Al12\n1.0\n8.622988 0.010100 2.992685\n-4.286683 7.482003 2.992685\n-0.008907 -0.015390 8.962840\nMg Sc Al\n16 1 12\ndirect\n0.399664 0.399663 0.281656 Mg\n0.314390 0.605430 0.996959 Mg\n0.000553 0.318962 0.393649 Mg\n0.996286 0.335456 0.007752 Mg\n0.290230 0.684243 0.315605 Mg\n0.599645 0.001867 0.685202 Mg\n0.001867 0.599644 0.685202 Mg\n0.684244 0.290230 0.315605 Mg\n0.398856 0.714410 0.604053 Mg\n0.318962 0.000553 0.393649 Mg\n0.714410 0.398856 0.604053 Mg\n0.605430 0.314390 0.996959 Mg\n-0.000529 -0.000529 0.002526 Mg\n0.656774 0.656774 0.348896 Mg\n0.004889 0.004889 0.649809 Mg\n0.335456 0.996286 0.007752 Mg\n0.684839 0.684838 0.720655 Sc\n0.179230 0.364998 0.633617 Al\n0.822224 0.184741 0.811426 Al\n0.634126 0.000604 0.181514 Al\n0.000604 0.634125 0.181514 Al\n0.184741 0.822224 0.811426 Al\n0.184124 0.184124 0.180873 Al\n0.995588 0.810267 0.372900 Al\n0.812375 0.632713 0.997365 Al\n0.372924 0.372924 0.815491 Al\n0.810267 0.995588 0.372900 Al\n0.364998 0.179230 0.633617 Al\n0.632713 0.812374 0.997365 Al\n",
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{
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"created_at": "2022-09-04T14:38:51.151012Z",
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"structure_string": "Dy6 Zn23\n1.0\n7.748119 -0.000000 4.473379\n2.582706 7.304997 4.473379\n-0.000000 -0.000000 8.946758\nDy Zn\n6 23\ndirect\n0.706458 0.706458 0.293542 Dy\n0.293542 0.706458 0.293542 Dy\n0.706458 0.293542 0.293542 Dy\n0.293542 0.293542 0.706458 Dy\n0.706458 0.293542 0.706458 Dy\n0.293542 0.706458 0.706458 Dy\n0.330284 0.009147 0.330284 Zn\n0.330284 0.330284 0.009147 Zn\n0.669716 0.669716 0.669716 Zn\n0.990853 0.669716 0.669716 Zn\n0.669716 0.990853 0.669716 Zn\n0.669716 0.669716 0.990853 Zn\n0.122764 0.122764 0.122764 Zn\n0.631709 0.122764 0.122764 Zn\n0.122764 0.631709 0.122764 Zn\n0.122764 0.122764 0.631709 Zn\n0.877236 0.368291 0.877236 Zn\n0.368292 0.877236 0.877236 Zn\n0.009147 0.330284 0.330284 Zn\n0.877236 0.877236 0.368291 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 -0.000000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.877236 0.877236 0.877236 Zn\n0.330284 0.330284 0.330284 Zn\n",
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{
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"created_at": "2022-09-04T14:38:51.151627Z",
"updated_at": "2022-09-04T14:38:51.151646Z",
"structure_string": "Fe2 Cu10 Sb4 S13\n1.0\n8.453567 -0.013714 -2.996545\n-4.223451 7.322940 -2.996545\n0.007937 0.013714 8.968948\nFe Cu Sb S\n2 10 4 13\ndirect\n0.777124 0.777124 -0.000000 Fe\n0.222877 0.222877 -0.000000 Fe\n0.500000 0.748987 0.248986 Cu\n0.251014 0.500000 0.751013 Cu\n0.750001 0.250000 0.500000 Cu\n0.748987 0.500000 0.248986 Cu\n0.500000 0.251013 0.751013 Cu\n0.250000 0.750000 0.500000 Cu\n0.000000 0.776900 0.776900 Cu\n0.776901 0.000000 0.776901 Cu\n0.000000 0.223099 0.223099 Cu\n0.223100 0.000000 0.223099 Cu\n0.548365 0.995046 -0.000001 Sb\n0.995047 0.548365 -0.000000 Sb\n0.451636 0.451635 0.446681 Sb\n0.004954 0.004954 0.553319 Sb\n0.233259 0.750260 0.751555 S\n0.000000 0.000000 0.000000 S\n0.521766 0.521765 0.771732 S\n0.766742 0.518296 0.517001 S\n0.518297 0.766741 0.517001 S\n0.750034 0.750034 0.228268 S\n0.001294 0.249739 0.482999 S\n0.249739 0.001294 0.482999 S\n0.249966 0.478235 -0.000000 S\n0.998707 0.481704 0.248445 S\n0.750261 0.233259 0.751555 S\n0.478235 0.249966 -0.000000 S\n0.481704 0.998706 0.248445 S\n",
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{
"id": "jvasp-119051",
"created_at": "2022-09-04T14:38:51.479369Z",
"updated_at": "2022-09-04T14:38:51.479395Z",
"structure_string": "Nb8 Pt1 Se20\n1.0\n9.981286 -0.026062 2.866787\n9.385786 3.396139 2.866787\n0.170818 0.029724 19.585460\nNb Pt Se\n8 1 20\ndirect\n0.077720 0.077720 0.091587 Nb\n0.922281 0.922280 0.908414 Nb\n0.329966 0.329965 0.811251 Nb\n0.670035 0.670035 0.188749 Nb\n0.269883 0.269883 0.279525 Nb\n0.730118 0.730117 0.720475 Nb\n0.150336 0.150335 0.556529 Nb\n0.849665 0.849665 0.443472 Nb\n0.500000 0.500000 0.000000 Pt\n0.793069 0.793067 0.914867 Se\n0.206932 0.206932 0.085133 Se\n0.522573 0.522572 0.867964 Se\n0.477428 0.477428 0.132036 Se\n0.668791 0.668791 0.324102 Se\n0.331210 0.331209 0.675898 Se\n0.744483 0.744482 0.572440 Se\n0.255518 0.255517 0.427560 Se\n0.801655 0.801656 0.173934 Se\n0.861700 0.861701 0.300757 Se\n0.623020 0.623018 0.987884 Se\n0.376982 0.376982 0.012116 Se\n0.069452 0.069452 0.229068 Se\n0.138301 0.138299 0.699243 Se\n0.595956 0.595956 0.483196 Se\n0.404045 0.404044 0.516804 Se\n0.549316 0.549315 0.611446 Se\n0.450685 0.450684 0.388554 Se\n0.198346 0.198344 0.826066 Se\n0.930549 0.930548 0.770932 Se\n",
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{
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"created_at": "2022-09-04T14:38:50.572504Z",
"updated_at": "2022-09-04T14:38:50.572528Z",
"structure_string": "Nb2 Ni21 B6\n1.0\n6.440207 -0.000000 3.718255\n2.146736 6.071885 3.718255\n-0.000000 -0.000000 7.436510\nNb Ni B\n2 21 6\ndirect\n0.250000 0.250000 0.250000 Nb\n0.750001 0.750001 0.750000 Nb\n0.000000 0.000000 0.000000 Ni\n0.153266 0.615578 0.615578 Ni\n0.846734 0.384423 0.384423 Ni\n0.615578 0.153266 0.615578 Ni\n0.615578 0.615578 0.153266 Ni\n0.384423 0.846735 0.384423 Ni\n0.384423 0.384423 0.846734 Ni\n0.615578 0.615578 0.615578 Ni\n0.340516 0.659485 0.000000 Ni\n0.659485 0.340515 0.000000 Ni\n0.384423 0.384423 0.384423 Ni\n0.000000 0.000000 0.340515 Ni\n0.340515 0.000000 0.659485 Ni\n0.000000 0.659485 0.000000 Ni\n0.659485 0.000000 0.340515 Ni\n0.000000 0.340515 0.000000 Ni\n0.000000 0.659485 0.340515 Ni\n0.000000 0.340515 0.659485 Ni\n0.659485 0.000000 0.000000 Ni\n0.340515 0.000000 0.000000 Ni\n0.000000 0.000000 0.659485 Ni\n0.267483 0.267483 0.732517 B\n0.732517 0.267483 0.267483 B\n0.267484 0.732517 0.732517 B\n0.267484 0.732517 0.267483 B\n0.732517 0.267483 0.732517 B\n0.732518 0.732517 0.267483 B\n",
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{
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"created_at": "2022-09-04T14:38:50.404173Z",
"updated_at": "2022-09-04T14:38:50.404209Z",
"structure_string": "Li5 Co2 Cu2 P4 O16\n1.0\n4.750243 0.038932 0.237008\n0.130634 6.098937 0.254181\n-0.039186 0.035005 10.209116\nLi Co Cu P O\n5 2 2 4 16\ndirect\n0.001687 0.500839 0.001051 Li\n0.100648 0.971589 0.128473 Li\n0.501359 0.000973 0.500765 Li\n0.501386 0.500912 0.501098 Li\n0.902545 0.030228 0.873716 Li\n0.539059 0.727737 0.218542 Co\n0.464038 0.274045 0.783542 Co\n0.058866 0.273440 0.296213 Cu\n0.943947 0.728415 0.705929 Cu\n0.411857 0.757986 0.906808 P\n0.919854 0.247578 0.600175 P\n0.591287 0.243831 0.095288 P\n0.083096 0.754252 0.401933 P\n0.196230 0.774689 0.540855 O\n0.294055 0.981531 0.849205 O\n0.281976 0.567548 0.833080 O\n0.759563 0.452826 0.658982 O\n0.795510 0.056483 0.690416 O\n0.242032 0.259260 0.600562 O\n0.806603 0.227028 0.461279 O\n0.266727 0.254760 0.103456 O\n0.207651 0.945449 0.311815 O\n0.243380 0.549059 0.343066 O\n0.721181 0.434248 0.169044 O\n0.709100 0.020281 0.152894 O\n0.736421 0.747060 0.898642 O\n0.292778 0.731905 0.051869 O\n0.760919 0.742618 0.401464 O\n0.710387 0.269950 0.950238 O\n",
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{
"id": "jvasp-119060",
"created_at": "2022-09-04T14:38:50.388257Z",
"updated_at": "2022-09-04T14:38:50.388281Z",
"structure_string": "Sc6 Al16 Os7\n1.0\n7.584929 -0.000000 4.379161\n2.528310 7.151139 4.379161\n-0.000000 -0.000000 8.758321\nSc Al Os\n6 16 7\ndirect\n0.713971 0.713971 0.286029 Sc\n0.286029 0.713971 0.286029 Sc\n0.713971 0.286029 0.286029 Sc\n0.286029 0.286029 0.713971 Sc\n0.713971 0.286029 0.713971 Sc\n0.286029 0.713971 0.713971 Sc\n0.338203 0.338203 0.338203 Al\n0.985391 0.338203 0.338203 Al\n0.338203 0.985391 0.338203 Al\n0.338203 0.338203 0.985391 Al\n0.661797 0.661797 0.661797 Al\n0.014609 0.661797 0.661797 Al\n0.661797 0.014609 0.661797 Al\n0.661797 0.661797 0.014609 Al\n0.637344 0.120886 0.120886 Al\n0.120886 0.637344 0.120886 Al\n0.120886 0.120886 0.637344 Al\n0.879115 0.879114 0.879114 Al\n0.362656 0.879114 0.879114 Al\n0.879115 0.362656 0.879114 Al\n0.879115 0.879114 0.362656 Al\n0.120886 0.120886 0.120886 Al\n0.000000 0.500000 -0.000000 Os\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 -0.000000 Os\n0.500000 0.000000 -0.000000 Os\n",
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{
"id": "jvasp-117219",
"created_at": "2022-09-04T14:38:51.663320Z",
"updated_at": "2022-09-04T14:38:51.663341Z",
"structure_string": "Cu10 Hg2 Sb4 S13\n1.0\n8.562090 -0.036608 -3.250546\n-4.087816 7.523330 -3.250546\n0.021878 0.036608 9.158327\nCu Hg Sb S\n10 2 4 13\ndirect\n0.230980 0.500000 0.730980 Cu\n0.500000 0.230980 0.730980 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.769020 0.269020 Cu\n0.769020 0.500000 0.269020 Cu\n0.750000 0.250000 0.500000 Cu\n0.221519 0.000000 0.221519 Cu\n-0.000000 0.778481 0.778481 Cu\n0.778481 0.000000 0.778481 Cu\n-0.000000 0.221519 0.221519 Cu\n0.758764 0.758765 -0.000001 Hg\n0.241235 0.241235 -0.000000 Hg\n0.536149 0.536149 0.550886 Sb\n0.985263 0.985263 0.449112 Sb\n0.014736 0.463851 -0.000000 Sb\n0.463851 0.014737 -0.000000 Sb\n0.480965 0.227816 0.469991 S\n0.000000 0.000000 0.000000 S\n0.744149 0.476368 -0.000001 S\n0.242176 0.772184 0.253149 S\n0.989026 0.519035 0.746850 S\n0.476367 0.744149 -0.000001 S\n0.519034 0.989026 0.746850 S\n0.772183 0.242176 0.253149 S\n0.255851 0.255851 0.732218 S\n0.757824 0.010974 0.530008 S\n0.010974 0.757824 0.530008 S\n0.523632 0.523632 0.267781 S\n0.227816 0.480965 0.469991 S\n",
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"formula_reduced": "Cu10Hg2Sb4S13",
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{
"id": "jvasp-20329",
"created_at": "2022-09-04T14:37:43.310641Z",
"updated_at": "2022-09-04T14:37:43.310672Z",
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"elements": [
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{
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"formula_reduced": "Y(Mg4Al3)4",
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}